6Z45
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![BU of 6z45 by Molmil](/molmil-images/mine/6z45) | CDK9-Cyclin-T1 complex bound by compound 24 | Descriptor: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ... | Authors: | Ferguson, A, Collie, G.W. | Deposit date: | 2020-05-22 | Release date: | 2020-12-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies. J.Med.Chem., 63, 2020
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5OVQ
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7SEL
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![BU of 7sel by Molmil](/molmil-images/mine/7sel) | E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3) | Descriptor: | (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase | Authors: | Payandeh, J, Koth, C.M, Verma, V.A. | Deposit date: | 2021-09-30 | Release date: | 2022-03-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.978 Å) | Cite: | Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity. J.Med.Chem., 65, 2022
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8IF2
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![BU of 8if2 by Molmil](/molmil-images/mine/8if2) | Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BQ.1.1 variant spike protein in complex with its receptor ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Kimura, K, Suzuki, T, Hashiguchi, T. | Deposit date: | 2023-02-17 | Release date: | 2023-05-17 | Last modified: | 2023-05-24 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Convergent evolution of SARS-CoV-2 Omicron subvariants leading to the emergence of BQ.1.1 variant. Nat Commun, 14, 2023
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6XQR
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![BU of 6xqr by Molmil](/molmil-images/mine/6xqr) | OXA-48 bound by Compound 2.2 | Descriptor: | Beta-lactamase, CHLORIDE ION, [1,1'-biphenyl]-4,4'-disulfonic acid | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2020-07-10 | Release date: | 2021-12-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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5GSA
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![BU of 5gsa by Molmil](/molmil-images/mine/5gsa) | EED in complex with an allosteric PRC2 inhibitor | Descriptor: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-08-15 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of Nat. Chem. Biol., 13, 2017
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7BOZ
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7BOY
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![BU of 7boy by Molmil](/molmil-images/mine/7boy) | |
7BP0
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7BOX
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![BU of 7box by Molmil](/molmil-images/mine/7box) | |
7BOU
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![BU of 7bou by Molmil](/molmil-images/mine/7bou) | GP8 of Mature Bacteriophage T7 | Descriptor: | Portal protein | Authors: | Chen, W.Y, Xiao, H. | Deposit date: | 2020-03-19 | Release date: | 2021-03-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural changes of a bacteriophage upon DNA packaging and maturation. Protein Cell, 11, 2020
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5J87
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7VGG
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![BU of 7vgg by Molmil](/molmil-images/mine/7vgg) | Cryo-EM structure of Ultraviolet-B activated UVR8 in complex with COP1 | Descriptor: | E3 ubiquitin-protein ligase COP1, Ultraviolet-B receptor UVR8 | Authors: | Wang, Y.D, Wang, L.X, Guan, Z.Y, Yin, P. | Deposit date: | 2021-09-16 | Release date: | 2022-05-04 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insight into UV-B-activated UVR8 bound to COP1. Sci Adv, 8, 2022
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7KMG
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![BU of 7kmg by Molmil](/molmil-images/mine/7kmg) | LY-CoV555 neutralizing antibody against SARS-CoV-2 | Descriptor: | GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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7L3N
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![BU of 7l3n by Molmil](/molmil-images/mine/7l3n) | SARS-CoV 2 Spike Protein bound to LY-CoV555 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV555 Fab heavy chain, ... | Authors: | Goldsmith, J.A, McLellan, J.S. | Deposit date: | 2020-12-18 | Release date: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | LY-CoV555, a rapidly isolated potent neutralizing antibody, provides protection in a non-human primate model of SARS-CoV-2 infection. Biorxiv, 2020
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7KMH
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![BU of 7kmh by Molmil](/molmil-images/mine/7kmh) | LY-CoV488 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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7KMI
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![BU of 7kmi by Molmil](/molmil-images/mine/7kmi) | LY-CoV481 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV481 Fab heavy chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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7L8O
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![BU of 7l8o by Molmil](/molmil-images/mine/7l8o) | OXA-48 bound by Compound 4.3 | Descriptor: | 1,2-ETHANEDIOL, 9H-fluorene-2,7-disulfonate, Beta-lactamase, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2020-12-31 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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6XP5
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![BU of 6xp5 by Molmil](/molmil-images/mine/6xp5) | Head-Middle module of Mediator | Descriptor: | HEAT, Med22, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Zhang, H.Q, Chen, D.C, Kornberg, R.D. | Deposit date: | 2020-07-08 | Release date: | 2021-03-03 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Mediator structure and conformation change. Mol.Cell, 81, 2021
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3B9O
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![BU of 3b9o by Molmil](/molmil-images/mine/3b9o) | long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN | Descriptor: | Alkane monooxygenase, FLAVIN MONONUCLEOTIDE | Authors: | Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z. | Deposit date: | 2007-11-06 | Release date: | 2008-01-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase J.Mol.Biol., 376, 2008
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6URM
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![BU of 6urm by Molmil](/molmil-images/mine/6urm) | Crystal structure of vaccine-elicited receptor-binding site targeting antibody LPAF-a.01 in complex with Hemagglutinin H1 A/California/04/2009 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Zhou, T, Cheung, S.F, Kwong, P.D. | Deposit date: | 2019-10-23 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Identification and Structure of a Multidonor Class of Head-Directed Influenza-Neutralizing Antibodies Reveal the Mechanism for Its Recurrent Elicitation. Cell Rep, 32, 2020
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7MSD
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![BU of 7msd by Molmil](/molmil-images/mine/7msd) | Structure of EED bound to EEDi-6068 | Descriptor: | (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED | Authors: | Petrunak, E, Stuckey, J. | Deposit date: | 2021-05-11 | Release date: | 2021-10-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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7MSB
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![BU of 7msb by Molmil](/molmil-images/mine/7msb) | Structure of EED bound to EEDi-4259 | Descriptor: | (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED | Authors: | Petrunak, E, Stuckey, J. | Deposit date: | 2021-05-11 | Release date: | 2021-10-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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6PXG
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3B9N
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![BU of 3b9n by Molmil](/molmil-images/mine/3b9n) | Crystal structure of long-chain alkane monooxygenase (LadA) | Descriptor: | Alkane monooxygenase | Authors: | Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z. | Deposit date: | 2007-11-06 | Release date: | 2008-01-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase J.Mol.Biol., 376, 2008
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